SMArt.md.gromos package

Subpackages

• SMArt.md.gromos.FF_DB package
  • Module contents
• SMArt.md.gromos.io package
  • Submodules
  • SMArt.md.gromos.io.ana module
  • SMArt.md.gromos.io.incl module
  • Module contents
• SMArt.md.gromos.md_functions package
  • Submodules
  • SMArt.md.gromos.md_functions.make_imd module
  • SMArt.md.gromos.md_functions.make_job_list module
  • Module contents

Submodules

SMArt.md.gromos.incl module

class SMArt.md.gromos.incl.GromosBlockNames

Bases: SMArt.incl.Defaults

FORCEFIELD = 'ff_name'

LINKEXCLUSIONS = 'nexcl'

MAKETOPVERSION = '_gr_maketopv'

PHYSICALCONSTANTS = '_gr_physconst'

TOPVERSION = '_gr_topv'

class SMArt.md.gromos.incl.GromosDefaults

Bases: SMArt.incl.Defaults

ff_name = 'GROMOS_ff'

nexcl = '2'

Module contents